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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Intermediate-Temperature Proton Exchange Membranes Based on Cerium Ultraphosphate Composited with Polybenzimidazole

This paper reports the rational fabrication and structural, thermal, mechanical and electrochemical characterization of a new type of intermediate-temperature (IT) polymer-inorganic composite (PIC) proton exchange membranes (PEMs) that are made of cerium ultraphosphate (CeP 5 O 14 —CUP) as the solid-state proton conductor composited with a high-temperature (HT) polybenzimidazole (PBI) as the polymeric binder. Here, flexible PBI-CUP PIC membranes with the thickness of ~135 μ m and CUP mass fraction of up to 75% were prepared by solution-casting without additional acid-doping (e.g., phosphoric acid). The proton conductivity of the fabricated IT-PIC-PEMs was up to 5.80 × 10 –2 S cm –1 as measured from a prototype IT PEM fuel cell (PEMFC) operated at 200 °C in the humidified hydrogen and air environment. This type of IT-PIC-PEMs also demonstrated sufficient mechanical strength and flexibility, excellent thermal stability (up to 350 °C), and very good durability of the proton conductivity (within the test duration of 500 h). The present experimental study shows the promising future of the IT-PIC-PEMs for applications in various IT electrochemical processes including IT-PEMFCs, IT-electrolyzers, etc.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Resistance to fracture in the glassy solid electrolyte Lipon

We report on the mechanical behavior of a solid Li-ion conductor, lithium phosphorous oxynitride (Lipon), for solid-state batteries. In particular, the purpose of this investigation was to quantify the resistance to cracking (fracture toughness) of this material by nanoindentation. We observed surprising ductility and the ability to recover in Lipon. We were unsuccessful in inducing cracks in Lipon and observed accommodation of stress via pile-up and densification rather than by cracking at various strain rates. Simulations demonstrate that both deformation and densification depend on the alkali content. Densification appears to be recoverable at room temperature. We discuss the findings in comparison with nanoindentation-induced cracking in other inorganic solid electrolyte materials and provide possible explanations for high resistance of Lipon to Li filament propagation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2O5 by Materials Project

P2O5 is Tungsten structured and crystallizes in the trigonal R3c space group. The structure is zero-dimensional and consists of six phosphoric anhydride molecules. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is one shorter (1.45 Å) and three longer (1.62 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is one shorter (1.45 Å) and three longer (1.62 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P(HO)3 by Materials Project

H3PO3 is alpha Np structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of eight phosphorous acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P(HO)3 by Materials Project

H3PO3 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of six phosphorous acid molecules and one H3PO3 ribbon oriented in the (0, 1, 0) direction. In the H3PO3 ribbon, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.62–1.66 Å. There are three inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H+0.33+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one H+0.33+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one P5+ and two H+0.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2PH15O11 by Materials Project

Na2(H2O)7HPO4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four phosphoric acid molecules and two Na2(H2O)7 ribbons oriented in the (0, 1, 0) direction. In each Na2(H2O)7 ribbon, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of edge and face-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.35–2.48 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of edge and face-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.35–2.48 Å. There are fourteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PH5(NO2)2 by Materials Project

NH2NH3PO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ammonia molecules, four ammonia molecules, and four phosphoric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaNiPO11 by Materials Project

NaNiO7PO4 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional and consists of two phosphoric acid molecules and one NaNiO7 framework. In the NaNiO7 framework, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra and edges with two equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.28 Å) and two longer (2.44 Å) Na–O bond lengths. Ni is bonded to six O atoms to form NiO6 octahedra that share edges with two equivalent NaO6 octahedra. All Ni–O bond lengths are 1.83 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ni atom. In the second O site, O is bonded in a water-like geometry to one Na and one Ni atom. In the third O site, O is bonded in a linear geometry to two equivalent Na atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2O9 by Materials Project

P2O9 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight phosphoric acid molecules and four water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlPC4S4(N2O)4 by Materials Project

TlC4(N2S)4PO4 crystallizes in the orthorhombic Cccm space group. The structure is one-dimensional and consists of four phosphoric acid molecules and two TlC4(N2S)4 ribbons oriented in the (0, 0, 1) direction. In each TlC4(N2S)4 ribbon, Tl3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.03 Å) and four longer (3.05 Å) Tl–S bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two equivalent N1- and one S2- atom. Both C–N bond lengths are 1.31 Å. The C–S bond length is 1.83 Å. In the second C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two equivalent N1- and one S2- atom. Both C–N bond lengths are 1.31 Å. The C–S bond length is 1.84 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one C4+ and one S2- atom. The N–S bond length is 3.35 Å. In the second N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Tl3+ and one C4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Tl3+, one C4+, and two equivalent N1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlP2O11 by Materials Project

Al2(PO6)3PO4 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three phosphoric acid molecules and three Al2(PO6)3 clusters. In each Al2(PO6)3 cluster, there are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with three equivalent PO4 tetrahedra. There is three shorter (1.82 Å) and three longer (1.94 Å) Al–O bond length. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with three equivalent PO4 tetrahedra. There is three shorter (1.86 Å) and three longer (1.93 Å) Al–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two AlO6 octahedra. The corner-sharing octahedra tilt angles range from 26–32°. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Al atom. In the second O site, O is bonded in a single-bond geometry to one Al atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a single-bond geometry to one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrPO10 by Materials Project

CrO6PO4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight phosphoric acid molecules and eight CrO6 clusters. In each CrO6 cluster, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.62–1.75 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.21 Å) and one longer (1.77 Å) O–O bond length. In the third O site, O is bonded in a single-bond geometry to one Cr and one O atom. In the fourth O site, O is bonded in a single-bond geometry to one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one O atom. In the sixth O site, O is bonded in a single-bond geometry to one Cr atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KP4N3O16 by Materials Project

(K(PO4)3)2(N2)3(PO4)2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional and consists of three ammonia molecules, one phosphoric acid molecule, and one K(PO4)3 framework. In the K(PO4)3 framework, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.89 Å) and four longer (2.98 Å) K–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.54 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.55 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PO4 by Materials Project

PO4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphoric acid molecules. P is bonded in a tetrahedral geometry to four O atoms. All P–O bond lengths are 1.54 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a single-bond geometry to one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PRhO10 by Materials Project

RhO6PO4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight phosphoric acid molecules and eight RhO6 clusters. In each RhO6 cluster, Rh is bonded in a distorted octahedral geometry to six O atoms. All Rh–O bond lengths are 1.93 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Rh atom. In the second O site, O is bonded in a single-bond geometry to one Rh atom. In the third O site, O is bonded in a single-bond geometry to one Rh atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mo8P9Br(N3O14)4 by Materials Project

(Mo2P2O13)4(N2)4PO4N4Br crystallizes in the tetragonal P-4 space group. The structure is two-dimensional and consists of eight ammonia molecules; one phosphoric acid molecule; one N4Br cluster; and two Mo2P2O13 sheets oriented in the (0, 0, 1) direction. In the N4Br cluster, N is bonded in a single-bond geometry to one Br atom. The N–Br bond length is 2.17 Å. Br is bonded in a rectangular see-saw-like geometry to four equivalent N atoms. In each Mo2P2O13 sheet, there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to six O atoms to form distorted MoO6 octahedra that share a cornercorner with one MoO6 octahedra and corners with three PO4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Mo–O bond distances ranging from 1.73–2.24 Å. In the second Mo site, Mo is bonded to six O atoms to form distorted MoO6 octahedra that share a cornercorner with one MoO6 octahedra and corners with three PO4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Mo–O bond distances ranging from 1.75–2.32 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three MoO6 octahedra. The corner-sharing octahedra tilt angles range from 17–48°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three MoO6 octahedra. The corner-sharing octahedra tilt angles range from 34–48°. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Mo atoms. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a distorted single-bond geometry to one Mo and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the fifth O site, O is bonded in a distorted linear geometry to one Mo and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Mo and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one Mo atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Mo and one P atom. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to two equivalent Mo atoms. In the eleventh O site, O is bonded in a 1-coordinate geometry to one Mo and one P atom. In the twelfth O site, O is bonded in a single-bond geometry to one P atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Mo atom. In the fourteenth O site, O is bonded in a single-bond geometry to one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrPO10 by Materials Project

CrO6PO4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight phosphoric acid molecules and eight CrO6 clusters. In each CrO6 cluster, Cr is bonded in a distorted tetrahedral geometry to six O atoms. There are a spread of Cr–O bond distances ranging from 1.61–2.39 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a single-bond geometry to one Cr atom. In the third O site, O is bonded in a distorted single-bond geometry to one Cr atom. In the fourth O site, O is bonded in a single-bond geometry to one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one Cr atom. In the sixth O site, O is bonded in a single-bond geometry to one Cr atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P(HO)3 by Materials Project

H3PO3 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of four phosphorous acid molecules and two H3PO3 ribbons oriented in the (0, 1, 0) direction. In each H3PO3 ribbon, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.61 Å) and two longer (1.64 Å) P–O bond length. There are three inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H+0.33+ site, H+0.33+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one H+0.33+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H+0.33+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one P5+ and two H+0.33+ atoms.

36 MATERIALS SCIENCE↗